SCHEMBL6808872

SCHEMBL6808872

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)c1nnc(SCCN(C)C)o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
HTT P42858 1/20 0.50
CTSK P43235 3/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CTSS P25774 2/20 0.44
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6809032 0.99 TSHR (0.51) TSHRHTTCTSKALDH1A1L3MBTL1
SCHEMBL6808450 0.85 SMN1; SMN2 (0.39) TSHRHTTCTSKALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6809021 0.84 SMN1; SMN2 (0.41) TSHRHTTALDH1A1L3MBTL1LMNA
SCHEMBL6807966 0.83 TSHR (0.36) TSHRHTTCTSKALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6812948 0.82 SMN1; SMN2 (0.36) TSHRHTTCTSKALDH1A1L3MBTL1
SCHEMBL6808023 0.81 CTSL (0.49) CTSKCTSS
Hydrochloric Acid SCHEMBL6809074 0.81 CTSL (0.49) CTSKCTSSSMN1; SMN2
SCHEMBL6808545 0.79 TSHR (0.58) TSHRHTTALDH1A1L3MBTL1LMNA
SCHEMBL5497649 0.79 CTSK (0.51) CTSKCTSS
SCHEMBL14597832 0.78 SMN1; SMN2 (0.39) TSHRALDH1A1LMNANPSR1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ACIN1, CASP3, CASP7 TSHR 1975/4885HTT 4678/4885CTSK 451/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.